SCHEMBL6063156

SCHEMBL6063156

CCOC(=CC(C)C)C(=O)OC(=O)C(=CC(C)C)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.46
NR1H4 Q96RI1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PIN1 Q13526 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6063149 0.88 L3MBTL1 (0.51) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2
SCHEMBL6063153 0.88 L3MBTL1 (0.51) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2
SCHEMBL10898992 0.82 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL14498309 0.82 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL18652196 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL9502710 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2
SCHEMBL9502712 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2
SCHEMBL2637984 0.75 NR1H4 (0.45) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2
SCHEMBL2637977 0.75 NR1H4 (0.45) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2
SCHEMBL31384648 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNANR1H4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed